SCHEMBL11096971

SCHEMBL11096971

CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ NR1I2 O75469 4/20 0.56
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ TDP1 Q9NUW8 6/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11094997 1.00 MAPT (0.56) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10910303 0.96 NR1I2 (0.60) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL9633120 0.93 NR1I2 (0.51) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11137242 0.93 NR1I2 (0.64) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL9633126 0.93 NR1I2 (0.51) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10689638 0.92 NR1I2 (0.54) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL9691877 0.92 NR1I2 (0.54) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL10741834 0.91 CTDSP1 (0.56) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11474150 0.91 MAPT (0.64) MAPTNR1I2PPARGSLC22A6SLC22A8
SCHEMBL11373980 0.91 NR1I2 (0.50) MAPTNR1I2PPARGSLC22A6SLC22A8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431804-A CEPHALOSPORIN DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1984-02-14 — — US disclosed
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